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The effect of the spin-orbit interaction on the band gap of half-metals
Ph. Mavropoulos, K. Sato, R. Zeller +3
The spin-orbit interaction can cause a nonvanishing density of states (DOS) within the minority-spin band gap of half-metals around the Fermi level. We examine the magnitude of the…
Ballistic Spin Injection from Fe into ZnSe and GaAs with a (001), (111), and (110) orientation
O. Wunnicke, Ph. Mavropoulos, R. Zeller +1
We present first-principles calculations of ballistic spin injection in Fe/GaAs and Fe/ZnSe junctions with orientation (001), (111), and (110). We find that the symmetry mismatch o…
A KKR Green function formalism for ballistic transport
Ph. Mavropoulos, N. Papanikolaou, P. H. Dederichs
We develop a method for the calculation of ballistic transport from first principles. The multiple scattering screened Korringa-Kohn-Rostoker (KKR) method is combined with a Green'…
Half-metallic Zinc-blende Compounds
Ph. Mavropoulos, I. Galanakis, P. H. Dederichs
We report first-principles calculations of zinc-blende half-metals, identifying systems for epitaxial growth with semiconductors, and present calculations for CrAs/GaAs multilayers…